5-[2-(3,5-ditert-butyl-4-oxidanyl-phenyl)-1,3-dithian-4-yl]pentanoic acid

Systemtic Name: 5-[2-(3,5-ditert-butyl-4-oxidanyl-phenyl)-1,3-dithian-4-yl]pentanoic acid Openeye Name: 5-[2-(3,5-ditert-butyl-4-hydroxy-phenyl)-1,3-dithian-4-yl]pentanoic acid CAS Name: 5-[2-(3,5-ditert-butyl-4-hydroxyphenyl)-1,3-dithian-4-yl]pentanoic acid IUPAC Name: 5-[2-(3,5-ditert-butyl-4-hydroxyphenyl)-1,3-dithian-4-yl]pentanoic acid Traditional Name: 5-[2-(3,5-ditert-butyl-4-hydroxy-phenyl)-1,3-dithian-4-yl]valeric acid Formula: C23H36O3S2 MolecularWeight: 424.66014

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2SCCC(S2)CCCCC(=O)O

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2SCCC(S2)CCCCC(=O)O

InChI

InChI=1S/C23H36O3S2/c1-22(2,3)17-13-15(14-18(20(17)26)23(4,5)6)21-27-12-11-16(28-21)9-7-8-10-19(24)25/h13-14,16,21,26H,7-12H2,1-6H3,(H,24,25)